2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one

C13H15N3O3 — CID 79375445

IUPAC2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCOc1cccc(Cn2c(OC)nc(C)cc2=O)n1
InChIInChI=1S/C13H15N3O3/c1-9-7-12(17)16(13(14-9)19-3)8-10-5-4-6-11(15-10)18-2/h4-7H,8H2,1-3H3
InChIKeyAYZYWDFATXRAAU-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.01
Rot. Bonds4

About 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one

2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one (PubChem CID 79375445) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
PubChem CID79375445
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCOc1cccc(Cn2c(OC)nc(C)cc2=O)n1
InChIInChI=1S/C13H15N3O3/c1-9-7-12(17)16(13(14-9)19-3)8-10-5-4-6-11(15-10)18-2/h4-7H,8H2,1-3H3
InChIKeyAYZYWDFATXRAAU-UHFFFAOYSA-N
XLogP1.01
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one (CID 79375445) is 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one is COc1cccc(Cn2c(OC)nc(C)cc2=O)n1.
What is the InChIKey of 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is AYZYWDFATXRAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-7-12(17)16(13(14-9)19-3)8-10-5-4-6-11(15-10)18-2/h4-7H,8H2,1-3H3.
What are the key properties of 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 261.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 79375445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).